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4 results in Authors: Julian Holland

Theoretical and Computational Chemistry

A Workflow for Identifying Viable Crystal Structures with Partially Occupied Sites Applied to Solid Electrolyte: Cubic Li7La3Zr2O12

Julian Holland, Tom Demeyere, Arihant Bhandari, Felix Hanke, Victor Milman, Chris-Kriton Skylaris

Version 1 posted 03 August 2023

246

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Organic Chemistry

Fe/Thiol Cooperative HAT Olefin Hydrogenation: Mechanistic Insights that Inform Enantioselective Catalysis

Sarah Buzsaki, Savannah Mason, Padmanabha Kattamuri, Juan Serviano, Dinora Rodriguez, Conner Wilson, Drew Hood, Jonathan Ellefsen, Yen-Chu Lu, Jolie Kan, Julian West, Scott Miller, Patrick Holland

Version 1 posted 06 November 2023

1,690

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Theoretical and Computational Chemistry

Asynchronous Swarm-Based Global Optimisation: Overcoming Premature Convergence to Produce Realistic Pt Nanoparticle Ensembles

Julian Holland, Malgorzata Makos, Difan Zhang, Loukas Kollias, Mal-soon Lee, Roger Rousseau, Vanda Glezakou, Chris-Kriton Skylaris

Version 2 posted 14 November 2024

148

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Theoretical and Computational Chemistry

pyGlobOpt: Parallel Global Optimization Software for Nanoclusters, Materials, and Beyond

Małgorzata Z. Makoś, Julian Holland, Difan Zhang, Loukas Kollias, Mal-Soon Lee, Roger Rousseau, Chris-Kriton Skylaris, Vassiliki-Alexandra Glezakou

Version 1 posted 23 December 2024

29

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